Chemical Properties of Succinic acid, but-3-yn-2-yl 1-phenylpropyl ester

InChI

InChI=1S/C17H20O4/c1-4-13(3)20-16(18)11-12-17(19)21-15(5-2)14-9-7-6-8-10-14/h1,6-10,13,15H,5,11-12H2,2-3H3

InChI Key

LCWZJIMASFNTAL-UHFFFAOYSA-N

Formula

C17H20O4

SMILES

C#CC(C)OC(=O)CCC(=O)OC(CC)c1ccccc1

Molecular Weight¹

288.34

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6426		Relay (1.0) Calculated Property
ΔfG°	-44.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-518.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.33	kJ/mol	Joback Calculated Property
ΔvapH°	89.81	kJ/mol	Relay (1.0) Calculated Property
IE	8.99	eV	Relay (1.0) Calculated Property
log10WS	-3.36		Relay (1.0) Calculated Property
logPoct/wat	3.026		Crippen Calculated Property
McVol	232.910	ml/mol	McGowan Calculated Property
Pc	1952.68	kPa	Joback Calculated Property
Inp	[1923.00; 1923.00]
Inp	1923.00		NIST
Inp	1923.00		NIST
Tboil	590.12	K	Relay (1.0) Calculated Property
Tc	794.71	K	Relay (1.0) Calculated Property
Tfus	324.82	K	Relay (1.0) Calculated Property
Vc	0.818	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[654.34; 729.15]	J/mol×K	[756.86; 971.95]
Cp,gas	654.34	J/mol×K	756.86	Joback Calculated Property
Cp,gas	669.43	J/mol×K	792.71	Joback Calculated Property
Cp,gas	683.43	J/mol×K	828.56	Joback Calculated Property
Cp,gas	696.37	J/mol×K	864.40	Joback Calculated Property
Cp,gas	708.28	J/mol×K	900.25	Joback Calculated Property
Cp,gas	719.20	J/mol×K	936.10	Joback Calculated Property
Cp,gas	729.15	J/mol×K	971.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, but-3-yn-2-yl 1-phenylpropyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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